Participants

List of participants

  1. Angelova, Silvia (Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, Bulgaria) “Design of highly effective squaraines and croconines for photonic application“
  2. Averbukh, Vitali (Imperial College London, UK) “Ab initio Green's function methods for molecular bound-free transitions”
  3. Bacchus, Marie-Christine (Institut Lumiere Matiere ILM - University Lyon I, France) “Influence of nanohydration of uracil on proton-induced charge transfer”
  4. Ballester Caudet, Ana (Laboratoire de chimie physique théorique, Université de Liège, Belgium) “Electronic, charging and optical properties of gold nanoclusters”
  5. Banacky, Pavol (Institute of Chemistry, Faculty of Natural Sciences, Comenius University, Slovakia) “Single and multi-wall nanotubes of boron and metal-borides: stability, electronic structure and aspects of superconductivity”
  6. Brändas, Erkki (Uppsala University, Sweden) “A first principle representation of autaptic neurons”
  7. Buyadzhi, Vasily (Odessa State University - OSENU, Ukraine) “Multi-photon spectroscopy of the many-electron atoms and ions in a laser field with accounting for the Debye plasma effects”
  8. Canuto, Sylvio (Institute of Physics, University of Sao Paulo, Brazil) “Quantum systems and properties along the phase diagram”
  9. Cederbaum, Lorenz (University of Heidelberg, Germany) “On systems with and without excess energy in environment - ICD and other interatomic mechanisms”
  10. Champagne, Benoît (University of Namur, Belgium) “Challenges in the prediction of the nonlinear optical properties of small molecules and molecular switches”
  11. Chatterjee, Koushik (Technical University of Lodz, Poland) “Using natural orbitals within geminal theories for describing electron correlation in molecules”
  12. Császár, Attila (MTA-ELTE Complex Chemical Systems Research Group, Hungary) “The fourth age of quantum chemistry”
  13. Delgado-Barrio, Gerardo (Instituto de Física Fundamental (CSIC), Spain) “Reactive scattering calculations 87Rb + 87RbHe→Rb2 ( 3Σ+u , v) + He”
  14. Demekhin, Philipp (Universität Kassel, Germany) “Light-Induced Conical Intersections in polyatomic molecules”
  15. Dimitrova, Ralitsa (Sofia University “St. Kl. Ohridski”, Bulgaria) “Real-Time Detection of Cis-Trans Photoisomerization in New Metal Styryl Azacrown Ether Complexes”
  16. Dimitrova-Ivanovich, Maria (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria)
  17. Drakova, Deiana (Sofia University “St. Kl. Ohridski”, Bulgaria) “How can the green sulphur bacteria in the depths of the Black Sea use quantum computing for light harvesting?”
  18. Frutos, Luis Manuel (University of Alcalá de Henares, Spain) “A mechanochemical viewpoint of substituent effect”
  19. Gaidarov, Mitko (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria)
  20. Galindo, Johan (Universidad Nacional de Colombia, Colombia) “Dynamics of Energy Transfer Driven by Ultrafast Localization In Perylene Based Molecules ”
  21. Georgiev, Lachezar (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria) “Topological Quantum Computation with non-Abelian anyons in fractional quantum Hall states”
  22. Gocheva, Gergana (Sofia University “St. Kl. Ohridski”, Bulgaria) “Molecular dynamics assessment of the interactions between doxorubicin and a drug-binding peptide”
  23. Gonzalez-Lezana,Tomas (IFF-CSIC, Spain) “Low temperature dynamics of atom-diatom collisions”
  24. Gross, Hardy (Max Planck Institute of Microstructure Physics, Germany) “The superconducting order parameter in real space and its relation to chemical bonds”
  25. Guskova, Olga (IPF Dresden, Germany) “Supramolecular organization and solid-state order in small-molecule-based materials for organic electronics”
  26. Herbert, John (Ohio State University, USA) “Improving the efficiency of DFT and time-dependent DFT for excited states”
  27. Hsu, Chao-Ping (Academia Sinica, Taiwan) “Singlet fission and charge transfer in photovoltaics”
  28. Ivanov, Martin (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria)
  29. Ivanov, Petko (Institute of Organic Chemistry with Centre of Phytochemistry, BAS, Bulgaria) “Performance of some DFT functionals with dispersion on modeling of the translational isomers of a solvent-switchable [2]rotaxane”
  30. Jenkins, Samantha (Hunan Normal University, China) &ldquBiphenyl: A Stress Tensor and vector-based perspective explored within the Quantum Theory of Atoms in Molecules (QTAIM)”
  31. Jiang, Jyh-Chiang (National Taiwan University of Science and Technology, Taiwan) “Theoretical Study of Methane Adsorption and Reaction on IrO2 (110) surface”
  32. Kalchevski, Dobromir (Sofia University “St. Kl. Ohridski”, Faculty of Chemistry and Pharmacy, Bulgaria) “Conical intersection – a feasible route of the photoisomerization of a candidate for molecular memory”
  33. Kandinska, Meglena (Sofia University “St. Kl. Ohridski”, Faculty of Chemistry and Pharmacy, Department of Organic Chemistry, Bulgaria) “Real-Time Detection of Cis-Trans Photoisomerization in New Metal Styryl Azacrown Ether Complexes”
  34. Karwowski, Jacek (Institute of Physics, Nicolaus Copernicus University, Poland) “Dirac operator in quantum chemistry: A bumpy way to understanding”
  35. Kim, Chan Kyung (Department of Chemistry and Chemical Eigineering, Inha University, Republic of Korea) “Theoretical Studies on Some Organic Reactions Catalyzed by Cinchona Alkaloids”
  36. Kirk, Steven (Hunan Normal University, China)
  37. Kita, Yukiumi (Yokohama City University, Japan) “Anharmonic vibrational state analyses of polyatomic molecules with quantum Monte Carlo method”
  38. Klaiman, Shachar (University of Heidelberg, Germany) “Barrier-less single electron induced cis-trans isomerization”
  39. Kuleff, Alexander (Heidelberg University, Germany) “Controlling ultrafast charge migration in molecules”
  40. Kuo, Jer-Lai (Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan) “Vibrational Motion of Zundel form of Proton”
  41. Kurita, Noriyuki (Toyohashi University of Technology, Japan) “Ab initio molecular modeling of novel potent curcumin derivatives for treating Alzheimer's disease”
  42. Lefebvre, Roland (Institut des Sciences Moleculaires d'Orsay, Université Paris-Sud, France) “Exact Factorization of the Molecular Wave Function: Which Future?”
  43. Levine, Raphael (The Hebrew University of Jerusalem, Israel) “Pumping Ultrafast Nonequilibrium Electron Dynamicsand Probing by the Induced Nuclear Motion”
  44. Lugo Preciado, Jesus Gustavo (University of Liege, Belgium) “Dynamics of ligand exchange on nanometer size gold clusters: A theoretical investigation”
  45. Maitra, Neepa (Hunter College of the City University of New York, USA) “Electron-Electron and Election-Ion Correlation Potentials in Strong Field Dynamics”
  46. Madjarova, Galia (Sofia University “St. Kl. Ohridski”, Bulgaria)
  47. Mammino, Liliana (University of Venda, South Africa) “A Computational Study of Michellamines - Naphtylisoquinoline Alkaloids with anti-HIV activities”
  48. Maruani, Jean (LCP-MR, CNRS & UPMC, France) “The Dirac Equation as a Privileged Road to Understanding Quantum Systems”
  49. Med, Jakub (University of Chemistry and Technology in Prague, Czech Republic) “Reactions of hydrated electron in water nanoparticles: Sodium pickup on pure and N2O-doped water clusters”
  50. Mehandzhiyski, Aleksandar (Norwegian University of Science and Technology, Norway) “Ab Initio Molecular Dynamics Study on the Interactions Between Propanoate Ion and Metal Ions in Water”
  51. Mejia, Sol (Pontificia Universidad Javeriana, Colombia) “Understanding the azeotropic diethyl carbonate–water mixture by structural and energetic characterization of DEC(H2O)n heteroclusters”
  52. Michl, Josef (Institute of Organic Chemistry and Biochemistry, AS CR, Czech Republic) “Singlet Fission”
  53. Millot, Claude (Université de Lorraine – CNRS, France) “Towards an Accurate Ab Initio Force Field for Modelling Water Using Quantum Simulations”
  54. Miteva, Tsveta (Heidelberg University, Germany) “Resonant-Auger – ICD cascade in rare-gas dimers”
  55. Moiseyev, Nimrod (Technion - Israel Institute of Technology, Israel) “Complex potential energy surfaces for cold collision experiments”
  56. Monov, Rosen (Sofia University “St. Kl. Ohridski”, Bulgaria) “Prêt-à-porter: biscoumarine outfits of Tb(III)”
  57. Muchova, Eva (University of Chemistry and Technology Prague, Czech Republic) “Modeling Liquid Photoemission Spectra via Non-empirically Tuned Long Range Corrected Functionals”
  58. Mukherjee, Debashis (Indian Association for the Cultivation of Science, India) “Unitary Group Adapted MRCC and MRPT Theories: SU vs SS Approaches”
  59. Mutafchieva, Yuliya (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria) “Landau quantization and neutron emissions by nuclei in the crust of a neutron star”
  60. Nascimento, Marco (Universidade Federal do Rio de Janeiro, Brasil) “Permutation symmetry and correlation energy”
  61. Nenov, Artur (Universita di Bologna, Italy) “Spectral lineshape in nonlinear electronic spectroscopy: a practical approach based on a single trajectory”
  62. Pavlov, Rossen (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria)
  63. Petrova, Jasmina (Sofia University “St. Kl. Ohridski”, Faculty of Chemistry and Pharmacy, Bulgaria) “Water: a walk-on or a supporting actor?”
  64. Rasheev, Hristo (Sofia University “St. Kl. Ohridski”, Bulgaria) “Modelling of porous hydrocarbon material for facile ion migration”
  65. Rashev, Svetoslav (Institute of Solid State Physics, Bulgarian Academy of Sciences, Bulgaria) “Large scale vibrational calculations on IVR in S0 thiophosgene”
  66. Romanova, Julia (University of Surrey, Advanced Technology Institute, UK) “The Role of Substituent Effects in Tuning Metallophilic Interactions and Emission Energy of bis-4-(2-Pyridyl)-1,2,3-triazolatoplatinum(II) Complexes”
  67. Sanchez, Francis Michel (University Paris 8 and 11, France) “The Cosmos as a quantum system”
  68. Savin, Andreas (Laboratoire de Chimie Theorique, CNRS and UPMC Sorbonne University, France) “Spectrum conserving modified Coulomb operators?”
  69. Sheka, Elena (Peoples' Friendship University of Russia, Russia) “Theoretical chemical physics of graphene”
  70. Shigeta, Yasuteru (University of Tsukuba, Japan) “An Integrated Approach for Analyzing Mutational Effects on Enzymatic Reactions of Nylon Oligomer Hydrolase (NylB)”
  71. Shimazaki, Tomomi (RIKEN-AICS, Japan) “Theoretical study of charge separation through hot states in organic photocell”
  72. Spassova, Milena (Institute of Organic Chemistry with Centre of Phytochemistry, Bulgarian Academy of Sciences, Bulgaria) “Assessment of the DFT functionals with non-empirically tuned range-separation parameter for calculating the chirooptical properties of heptahelicenes”
  73. Stoyanov, Zhivko (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria) “Relativistic and mass corrections on the Ground State energy in few and multiply charged Heliumoid ions”
  74. Stoychev, Georgi (Sofia University “St. Kl. Ohridski”, Bulgaria) “Quantifying the hospitality of cucrbiturils”
  75. Suraud, Eric (IRSAMC, Université Paul Sabatier, France) “Probing electron dynamics in clusters and molecules: a theoretical contribution”
  76. Szabados, Ágnes (Loránd Eötvös University, Hungary) “Spin symmetry and size consistency of strongly orthogonal geminals”
  77. Tadjer, Alia (Sofia University “St. Kl. Ohridski”, Bulgaria)
  78. Takahashi, Kaito (Institute of Atomic and Molecular Sciences, Academia Sinica, Taiwan) “How many water molecules contribute to atmospherically relevant carbonyl oxide water reaction?”
  79. Temprado, Manuel (Universidad de Alcalá, Spain) “Structures, thermochemistry and mechanism of the reaction of Pd(0) biscarbenes with molecular oxygen”
  80. Ternovsky, Valentin (Odessa State University – OSENU, Ukraine) “Advanced relativistic energy approach to computing the radiation transition probabilities for heavy Rydberg atoms”
  81. Todorov, Ivan (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria) “Pythagorean trends in quantum field theory”
  82. Tonev, Dimitar (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria) “INRNE achievements in the field of experimental research”
  83. Tsoneva, Yana (Sofia University “St. Kl. Ohridski”, Bulgaria) “A comparative MD study of water structuring”
  84. Vasilev, Aleksey (Sofia University “St. Kl. Ohridski”, Faculty of Chemistry and Pharmacy, Dep. of Pharm. and Appl. Organic Chemistry, Bulgaria) “Real-Time Detection of Cis-Trans Photoisomerization in New Metal Styryl Azacrown Ether Complexes”
  85. Velchev, Chavdar (Institute for Nuclear Research and Nuclear Energy - BAS, Bulgaria)
  86. Wang, Alex (University of British Columbia, Canada) “Computational Studies of Heteroatom-Doped Single-Walled Carbon Nanotubes”
  87. Wasserman, Adam (Purdue University, USA) “Partition Density Functional Theory”
  88. Witek, Henryk (National Chiao Tung University, Taiwan) “Analytical form of helium wave function”
  89. Xu, Tianlv (Hunan Normal University, China) “QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface”
  90. Yu, Chin-Hui (National Tsing Hua University, Taiwan) “Theoretical study of base catalysed hydrolysis of 2-phenoxy-1-phenylethanol for lignin degradation”
  91. Yu, Jen-Shiang K. (National Chiao Tung University, Taiwan) “Theoretical Study on the Sulfur Transfer in Mercaptopyruvate Sulfurtransferases”

 

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